In-Silico Structure Database (LMISSD)
Common Name
TG(16:1(7Z)/15:1(9Z)/18:2(9Z,12Z))
Systematic Name
1-(7Z-hexadecenoyl)-2-(9Z-pentadecenoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
LM ID
LMGL0301AMLH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
812.689390
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerolipids [GL]
Triradylglycerols [GL03]
Triacylglycerols [GL0301]
String Representations
InChiKey (Click to copy)
TYHHPGFWSKZMNW-AWSPAPQDSA-N
InChi (Click to copy)
InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-33-36-39-42-45-51(54)57-48-49(58-52(55)46-43-40-37-34-29-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-30-27-23-20-17-14-11-8-5-2/h16,18-19,21,25-27,30,49H,4-15,17,20,22-24,28-29,31-48H2,1-3H3/b19-16-,21-18-,26-25-,30-27-/t49-/m1/s1
SMILES (Click to copy)
C(OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCCCC/C=C\CCCCCCCC)=O